1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-({3-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-({3-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-({3-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | 8008-8825 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-({3-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 622.94 |
| Molecular Formula: | C24 H19 Cl N12 O7 |
| Smiles: | Cc1c(c(nn1Cc1cc(/C=N/NC(c2c(c3ccc(cc3)[N+]([O-])=O)n(c3c(N)non3)nn2)=O)ccc1OC)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2044 |
| logD: | 3.2043 |
| logSw: | -3.952 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 205.434 |
| InChI Key: | VXKFJCMVLPPTCO-UHFFFAOYSA-N |